1115756 logo
canSAR1115756
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1
    InChI
    InChI=1S/C36H36ClN3O5S/c1-35(2)17-27-32(29(41)19-35)31(21-5-9-23(37)10-6-21)33-28(18-36(3,4)20-30(33)42)40(27)25-13-7-22(8-14-25)34(43)39-24-11-15-26(16-12-24)46(38,44)45/h5-16,31H,17-20H2,1-4H3,(H,39,43)(H2,38,44,45)
    MOLECULAR FORMULA
    C36H36ClN3O5S
    CROSS REFERENCES
    1115756 logo

    canSAR1115756

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 657.21
    AlogP 7.13
    HBond donors 3
    HBond acceptors 8
    Atoms 82
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1115756.